3-methylpentane-1,5-diamine

C6H16N2 — CID 14753826

IUPAC3-methylpentane-1,5-diamine
SMILESCC(CCN)CCN
InChIInChI=1S/C6H16N2/c1-6(2-4-7)3-5-8/h6H,2-5,7-8H2,1H3
InChIKeyFJSUFIIJYXMJQO-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.32
Rot. Bonds4

About 3-methylpentane-1,5-diamine

3-methylpentane-1,5-diamine (PubChem CID 14753826) has the molecular formula C6H16N2 and a molecular weight of 116.21 g/mol. Its IUPAC name is 3-methylpentane-1,5-diamine.

Molecular Properties

Compound Name3-methylpentane-1,5-diamine
PubChem CID14753826
Molecular FormulaC6H16N2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name3-methylpentane-1,5-diamine
SMILESCC(CCN)CCN
InChIInChI=1S/C6H16N2/c1-6(2-4-7)3-5-8/h6H,2-5,7-8H2,1H3
InChIKeyFJSUFIIJYXMJQO-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylpentane-1,5-diamine?
The IUPAC name of 3-methylpentane-1,5-diamine (CID 14753826) is 3-methylpentane-1,5-diamine.
What is the SMILES notation for 3-methylpentane-1,5-diamine?
The canonical SMILES for 3-methylpentane-1,5-diamine is CC(CCN)CCN.
What is the InChIKey of 3-methylpentane-1,5-diamine?
The InChIKey is FJSUFIIJYXMJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2/c1-6(2-4-7)3-5-8/h6H,2-5,7-8H2,1H3.
What are the key properties of 3-methylpentane-1,5-diamine?
3-methylpentane-1,5-diamine has a molecular weight of 116.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentane-1,5-diamine is sourced from PubChem (CID 14753826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).